4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile

C18H24N4O — CID 167961946

IUPAC4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H24N4O/c19-14-16-1-3-17(4-2-16)21-9-11-22(12-10-21)18(23)13-15-5-7-20-8-6-15/h1-4,15,20H,5-13H2
InChIKeyHXTVGQUDFNZKEL-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.60
Rot. Bonds3

About 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile

4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile (PubChem CID 167961946) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
PubChem CID167961946
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H24N4O/c19-14-16-1-3-17(4-2-16)21-9-11-22(12-10-21)18(23)13-15-5-7-20-8-6-15/h1-4,15,20H,5-13H2
InChIKeyHXTVGQUDFNZKEL-UHFFFAOYSA-N
XLogP1.60
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile (CID 167961946) is 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile is N#Cc1ccc(N2CCN(C(=O)CC3CCNCC3)CC2)cc1.
What is the InChIKey of 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile?
The InChIKey is HXTVGQUDFNZKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c19-14-16-1-3-17(4-2-16)21-9-11-22(12-10-21)18(23)13-15-5-7-20-8-6-15/h1-4,15,20H,5-13H2.
What are the key properties of 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile?
4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile has a molecular weight of 312.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 167961946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).